General Information of the Compound
| Compound ID |
CP0513928
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| Compound Name |
(4S)4-({[4-(4-Methoxypiperidin-1-yl)6-phenylpyridin-2-yl]-carbonyl}amino)5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-pentanoic Acid
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| Structure |
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| Formula |
C33H45N5O7
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| Molecular Weight |
623.751
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)OC
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| InChI |
InChI=1S/C33H45N5O7/c1-3-4-8-21-45-33(43)38-19-17-37(18-20-38)32(42)27(11-12-30(39)40)35-31(41)29-23-25(36-15-13-26(44-2)14-16-36)22-28(34-29)24-9-6-5-7-10-24/h5-7,9-10,22-23,26-27H,3-4,8,11-21H2,1-2H3,(H,35,41)(H,39,40)/t27-/m0/s1
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| InChIKey |
VHYZMNHWCOPWCS-MHZLTWQESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound